6-ethyl-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C23H27N2O3+ MolecularWeight: 379.47208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H26N2O3/c1-3-17-7-8-22-21(13-17)18(14-23(26)28-22)16-24-9-11-25(12-10-24)19-5-4-6-20(15-19)27-2/h4-8,13-15H,3,9-12,16H2,1-2H3/p+1